Molecule ID: mol31394

SMILES: O=C(NO)c1ccco1

InChI: InChI=1S/C5H5NO3/c7-5(6-8)4-2-1-3-9-4/h1-3,8H,(H,6,7)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.45 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization